From 750af7235f6d41c370616fe7d057cc27dfa5ef51 Mon Sep 17 00:00:00 2001 From: Giovanni Pizzi Date: Fri, 22 Feb 2019 16:48:07 +0100 Subject: [PATCH] A few fixes pre-release (see #229) - Updated final changes in CHANGELOG - Updated `make dist` to use `git archive` - Made the release date consistent - renamed the POST-v6.3 to v6.4 in pwscf - fixed the version number (3.0->3.0.0) --- CHANGELOG.md | 10 +++++++++- Makefile | 8 +++++++- autodoc/fast.md | 2 +- doc/tutorial/tutorial.tex | 2 +- doc/user_guide/user_guide.tex | 2 +- pwscf/{POST-v6.3 => v6.4}/pw2wannier90.f90 | 0 src/io.F90 | 3 +-- 7 files changed, 20 insertions(+), 7 deletions(-) rename pwscf/{POST-v6.3 => v6.4}/pw2wannier90.f90 (100%) diff --git a/CHANGELOG.md b/CHANGELOG.md index 042f782ff..d9e976bab 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -6,7 +6,8 @@ - Selective localization and constrained centres from Marianetti et al. [PRB 90, 165125 (2014)] [[#187]](https://github.com/wannier-developers/wannier90/pull/187) [[#207]](https://github.com/wannier-developers/wannier90/pull/207) [[#206]](https://github.com/wannier-developers/wannier90/pull/206) [[#205]](https://github.com/wannier-developers/wannier90/pull/205) -- Implementation of the SCDM method in Wannier90 [[#167]](https://github.com/wannier-developers/wannier90/pull/167) [[#202]](https://github.com/wannier-developers/wannier90/pull/202) and added an example for the tutorial [[#194]](https://github.com/wannier-developers/wannier90/pull/194) +- Implementation of the SCDM method in Wannier90 [[#167]](https://github.com/wannier-developers/wannier90/pull/167) [[#202]](https://github.com/wannier-developers/wannier90/pull/202) and added an example for the tutorial [[#194]](https://github.com/wannier-developers/wannier90/pull/194). Note that during development we have adapted the interface of the SCDM input flags; Quantum ESPRESSO v6.4 has the current implementation. [[#238]](https://github.com/wannier-developers/wannier90/pull/239) + - Parallelisation of the core Wannier90 routines [[#193]](https://github.com/wannier-developers/wannier90/pull/193) [[#185]](https://github.com/wannier-developers/wannier90/pull/185) [[#173]](https://github.com/wannier-developers/wannier90/pull/173) [[#151]](https://github.com/wannier-developers/wannier90/pull/151) [[#149]](https://github.com/wannier-developers/wannier90/pull/149) [[#125]](https://github.com/wannier-developers/wannier90/pull/125) [[#120]](https://github.com/wannier-developers/wannier90/pull/120) [[#76]](https://github.com/wannier-developers/wannier90/pull/76) @@ -40,8 +41,12 @@ Moreover, it generates a new file `seedname_band.labelinfo.dat` with information ### Various improvements and bugfixes +- New extensive solution booklet, contributed by V. Vitale, with solutions for examples 1-22 [[#233]](https://github.com/wannier-developers/wannier90/pull/233) + - Fix guiding center gamma point bug [[#223]](https://github.com/wannier-developers/wannier90/pull/223) +- Fixed issue in the search for points inside the Wigner-Seitz cell, making the code more robust for very anisotropic/stretched cells [[#216]](https://github.com/wannier-developers/wannier90/pull/216) + - Fixes to bugs in library mode [[#196]](https://github.com/wannier-developers/wannier90/pull/196) [[#224]](https://github.com/wannier-developers/wannier90/pull/224) [[#170]](https://github.com/wannier-developers/wannier90/pull/170) - Fix U matrices not being written [[#177]](https://github.com/wannier-developers/wannier90/pull/177) @@ -67,6 +72,9 @@ Moreover, it generates a new file `seedname_band.labelinfo.dat` with information - Improvements to the Wigner-Seitz detection routines [[#117]](https://github.com/wannier-developers/wannier90/pull/117) [[#109]](https://github.com/wannier-developers/wannier90/pull/109) + + + ### Improvement for compilation and for developers - Improvements to the testing infrastructure and addding code coverage check [[#220]](https://github.com/wannier-developers/wannier90/pull/220) [[#217]](https://github.com/wannier-developers/wannier90/pull/217) [[#184]](https://github.com/wannier-developers/wannier90/pull/184) [[#182]](https://github.com/wannier-developers/wannier90/pull/182) [[#163]](https://github.com/wannier-developers/wannier90/pull/163) [[#204]](https://github.com/wannier-developers/wannier90/pull/204) [[#156]](https://github.com/wannier-developers/wannier90/pull/156) [[#141]](https://github.com/wannier-developers/wannier90/pull/141) [[#127]](https://github.com/wannier-developers/wannier90/pull/127) diff --git a/Makefile b/Makefile index 44e0f574a..c408ed0fa 100644 --- a/Makefile +++ b/Makefile @@ -68,7 +68,13 @@ thedoc: $(MAKE) -C $(ROOTDIR)/doc/user_guide $(MAKE) -C $(ROOTDIR)/doc/tutorial -dist: +dist: + # For now hardcoded to 3.0.0, and using HEAD + # Better to get the version from the io.F90 file and use + # the tag (e.g. v3.0.0) instead of HEAD + cd $(ROOTDIR) && git archive HEAD -o wannier90-3.0.0.tar.gz + +dist-legacy: @(cd $(ROOTDIR) && $(TAR) -cz --transform='s,^\./,wannier90-3.0/,' -f wannier90-3.0.tar.gz \ ./src/*.?90 \ ./src/postw90/*.?90 \ diff --git a/autodoc/fast.md b/autodoc/fast.md index b7776380b..f35f129ed 100644 --- a/autodoc/fast.md +++ b/autodoc/fast.md @@ -3,7 +3,7 @@ output_dir: ./build_fast media_dir: ./media favicon: ./media/favicon16x16.png project: Wannier90 -author: Arash Mostofi, Jonathan Yates, Young-Su Lee, Giovanni Pizzi, Nicola Marzari, Ivo Souza and David Vanderbilt +author: The Wannier90 Developer Group project_github: https://github.com/wannier-developers/wannier90 project_website: http://wannier.org title: Wannier90 developer documentation diff --git a/doc/tutorial/tutorial.tex b/doc/tutorial/tutorial.tex index edb576aa1..fc4e28f2e 100644 --- a/doc/tutorial/tutorial.tex +++ b/doc/tutorial/tutorial.tex @@ -40,7 +40,7 @@ \author{Version 3.0} -\date{28th February 2019} +\date{27th February 2019} %\date{\today} %%% THIS SHOULD BE THE LAST PACKAGE TO BE LOADED! diff --git a/doc/user_guide/user_guide.tex b/doc/user_guide/user_guide.tex index 1ab37fcbb..545d2ccce 100644 --- a/doc/user_guide/user_guide.tex +++ b/doc/user_guide/user_guide.tex @@ -84,7 +84,7 @@ \author{Version 3.0} -\date{28th February 2019} +\date{27th February 2019} %\date{\color{red} \today} diff --git a/pwscf/POST-v6.3/pw2wannier90.f90 b/pwscf/v6.4/pw2wannier90.f90 similarity index 100% rename from pwscf/POST-v6.3/pw2wannier90.f90 rename to pwscf/v6.4/pw2wannier90.f90 diff --git a/src/io.F90 b/src/io.F90 index 3ab010e97..9c90f7adf 100644 --- a/src/io.F90 +++ b/src/io.F90 @@ -32,8 +32,7 @@ module w90_io !! Max column width of input file logical, public, save :: post_proc_flag !! Are we in post processing mode -! character(len=10), public, parameter:: w90_version='2.1.0 ' - character(len=10), public, parameter:: w90_version = '3.0 ' + character(len=10), public, parameter:: w90_version = '3.0.0 ' !! Label for this version of wannier90 type timing_data